HoScCu
Alexandria ALEXAlex-ID: agm005651301 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7724_spg189
Sc2Cu Ho HoCu
2023-06-18 12:06:42.270626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651301).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005651301
data_agm005651301
_cell_length_a 6.99742
_cell_length_b 8.43541
_cell_length_c 8.43541
_cell_angle_alpha 67.69204
_cell_angle_beta 65.49551
_cell_angle_gamma 65.49551
_cell_volume 399.09095
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho1 Ho 0.15740 0.04809 0.54809 1.00000
Ho2 Ho 0.75359 0.95191 0.45191 1.00000
Ho3 Ho 0.34926 0.75000 0.25000 1.00000
Ho4 Ho 0.34927 0.25000 0.75000 1.00000
Ho5 Ho 0.75361 0.45192 0.95192 1.00000
Ho6 Ho 0.15745 0.54808 0.04808 1.00000
Sc1 Sc 0.01525 1.00000 0.00000 1.00000
Sc2 Sc 0.01525 0.50000 0.50000 1.00000
Sc3 Sc 0.75320 0.36904 0.36905 1.00000
Sc4 Sc 0.49129 0.63096 0.63095 1.00000
Sc5 Sc 0.49129 0.13095 0.13096 1.00000
Sc6 Sc 0.75320 0.86905 0.86904 1.00000
Cu1 Cu 0.75356 0.25002 0.75002 1.00000
Cu2 Cu 0.75360 0.74998 0.24998 1.00000
Cu3 Cu 0.08629 0.16679 0.16680 1.00000
Cu4 Cu 0.41989 0.83321 0.83320 1.00000
Cu5 Cu 0.41989 0.33320 0.33321 1.00000
Cu6 Cu 0.08629 0.66680 0.66679 1.00000
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